SCHEMBL19781097

SCHEMBL19781097

CC(C)(C)c1ccnc(-c2ccc(B3OC(C)(C)C(C)(C)O3)c(-c3ccccc3)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LPL P06858 3/20 0.39
LIPG Q9Y5X9 3/20 0.39
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
DGAT1 O75907 1/20 0.32
ASIC3 Q9UHC3 1/20 0.31
KIF11 P52732 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19781094 0.83 LPL (0.44) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL19833342 0.83 LIPG (0.40) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL19794358 0.80 LPL (0.39) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL18015265 0.78 LIPG (0.46) LPLLIPGDGAT1
SCHEMBL21065676 0.77 LIPG (0.59) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL30951709 0.77 LIPG (0.59) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL15856871 0.76 LPL (0.42) LPLLIPGPDGFRBKDRDGAT1
SCHEMBL7807703 0.74 ASIC3 (0.53) ASIC3KIF11KDM4EMEN1NPC1
SCHEMBL31176227 0.74 ASIC3 (0.53) ASIC3KIF11KDM4EMEN1NPC1
SCHEMBL24780967 0.74 LIPG (0.47) LPLLIPGPDGFRBKDRDGAT1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-20230322826-A1 METAL COMPLEXES UDC IRELAND LIMITED (IE) 2023-10-12 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
US-11713332-B2 Metal complexes MERCK PATENT GMBH (DE) 2023-08-01 US disclosed
EP-3487865-B1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-11-23 EP disclosed
EP-3484868-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
US-20190315787-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-10-17 US disclosed
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-05-23 US disclosed
WO-2018019687-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-02-01 WO disclosed
WO-2018011186-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2018-01-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190157578-A1 DINUCLEAR AND OLIGONUCLEAR METAL COMPLEXES CONTAINING TRIPODAL BIDENTATE PART LIGANDS AND THEIR USE IN ELECTRONIC DEVICES SSBP1, POLRMT, BICRA LPL 4791/4885LIPG 4455/4885PDGFRB 3891/4885
US-20190315787-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 LPL 3378/4885LIPG 3352/4885PDGFRB 4871/4885
US-11713332-B2 Metal complexes AP1M1, SOD1, AP3M1 LPL 3378/4885LIPG 3352/4885PDGFRB 4871/4885
US-20230322826-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 LPL 3378/4885LIPG 3352/4885PDGFRB 4871/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.